SCHEMBL2835593

SCHEMBL2835593

Cc1c(N=C=O)c(C)c(N=C=O)c(C)c1N=C=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28795111 0.94 CYP3A4 (0.42) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL28344084 0.94 CYP3A4 (0.42) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL57779 0.93 CYP3A4 (0.46) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL7747680 0.90 CYP3A4 (0.44) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL2814949 0.84 CYP3A4 (0.44) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL112221 0.81 CYP3A4 (0.42) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL5427471 0.81 CYP3A4 (0.43) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL441816 0.81 CYP3A4 (0.43) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL18126140 0.81 CYP3A4 (0.38) CYP3A4GABRA1GABRB2
SCHEMBL1128050 0.79 CYP3A4 (0.33) CYP3A4GABRA1GABRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 241 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110291125-B Chemically modified shape memory polymer embolic foams with increased X-ray visualization 得克萨斯农业及机械体系综合大学 2022-04-19 CN claimed
EP-2411433-B1 POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME PPG IND OHIO INC (US) 2018-06-20 EP claimed
EP-2385075-B1 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG IND OHIO INC (US) 2013-08-28 EP claimed
EP-2004720-B1 POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME PPG IND OHIO INC (US) 2012-06-27 EP claimed
EP-0645647-B2 Process for the reproduction of polyurethane lens HOYA CORP (JP) 2006-10-04 EP claimed
EP-0802431-B1 Process for the production of polyurethane lens HOYA CORP (JP) 2002-01-16 EP claimed
EP-0803743-B1 Process for the production of polyurethane lens HOYA CORP (JP) 2002-01-16 EP claimed
EP-0645647-B1 Process for the reproduction of polyurethane lens HOYA CORP (JP) 1998-01-14 EP claimed
US-4849262-A Pigment printing pastes and dyeing liquors containing stable dispersions of finely divided solid polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1989-07-18 US claimed
US-4664979-A DURABLE MAGNETIC TAPES FUJI PHOTO FILM CO., LTD. (JP) 1987-05-12 US claimed
US-4369302-A Curable resin composition comprising cyanate ester and polyisocyanate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-01-18 US claimed
US-20240199789-A1 POLYURETHANE FOAM AND CUSHIONING MATERIAL INOAC CORPORATION (JP) 2024-06-20 US disclosed
CN-113518615-B Cosmetic and cosmetic method for heating 株式会社资生堂 2024-05-14 CN disclosed
US-20240149801-A1 SOUNDPROOF MEMBER AND PRODUCTION METHOD THEREOF INOAC CORPORATION (JP) 2024-05-09 US disclosed
US-11970120-B1 Soundproof member and production method thereof INOAC CORPORATION (JP) 2024-04-30 US disclosed
US-4049871-A POLYURETHANE, ALKYD RESIN, POLYISOCYANATE BINDER FUJI PHOTO FILM CO., LTD. (JA) 1977-09-20 US disclosed
US-4032574-A PRODUCTION OF POLYETHERPOLYOLS USEFUL IN PREPARING RIGID POLYURETHANE FOAMS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-06-28 US disclosed
US-4031035-A Polyurethane-amide resins based upon isocyanate terminated prepolymers of bis-(2-hydroxyethyl)terephthalate CELANESE CORPORATION (US) 1977-06-21 US disclosed
US-3969394-A Polyurethanes CELANESE CORPORATION (US) 1976-07-13 US disclosed
US-3947426-A Solid particle-form polymerizable polymeric material and compositions, structures and methods of employing and producing the same STORY CHEMICAL CORPORATION (US) 1976-03-30 US disclosed